CID 28242268

4-chloro-7-(trifluoromethoxy)quinoline

Structural Information

Molecular Formula
C10H5ClF3NO
SMILES
C1=CC2=C(C=CN=C2C=C1OC(F)(F)F)Cl
InChI
InChI=1S/C10H5ClF3NO/c11-8-3-4-15-9-5-6(1-2-7(8)9)16-10(12,13)14/h1-5H
InChIKey
IMYQYVHUVHLCOX-UHFFFAOYSA-N
Compound name
4-chloro-7-(trifluoromethoxy)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

247.00117 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.00845 144.7
[M+Na]+ 269.99039 156.5
[M-H]- 245.99389 144.5
[M+NH4]+ 265.03499 163.0
[M+K]+ 285.96433 151.1
[M+H-H2O]+ 229.99843 136.3
[M+HCOO]- 291.99937 158.4
[M+CH3COO]- 306.01502 190.4
[M+Na-2H]- 267.97584 152.7
[M]+ 247.00062 144.6
[M]- 247.00172 144.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe